Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03110010
Common Name2,3-Dinor-8-iso-PGF2α
Systematic Name9S,11R,15S-trihydroxy-2,3-dinor-5Z,13E-prostadienoic acid-cyclo[8S,12R]
Synonyms-
Exact Mass
326.2093 (neutral)    Calculate m/z:
FormulaC18H30O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassIsoprostanes [FA0311]
AbbrevFA 18:3;O3
PubChem CID9548881
KEGG IDC14794
CHEBI ID34230
CAYMAN ID16290
InChIKeyIDKLJIUIJUVJNR-JSEKUSAISA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-17,19-21H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14-,15+,16-,17+/m0/s1
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SMILES
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@H]1C/C=C\CC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume		343.63Topological Polar
Surface Area		97.99Hydrogen
Bond Donors		4Hydrogen
Bond Acceptors		5
 logP3.12Molar
Refractivity		90.45